Cas no 135729-56-5 (Palonosetron)
Palonosetron structure
Product Name:Palonosetron
CAS No:135729-56-5
MF:C19H22N2O
MW:294.390784740448
CID:64376
PubChem ID:148210
Update Time:2025-04-18
Palonosetron Chemical and Physical Properties
Names and Identifiers
-
- Palonosetron
- (S)-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one
- PALONOSTERON
- DIDFYSQVOPVZQB-QGZVFWFLSA-N
- AKOS015901526
- 2-((3S)-1-Azabicyclo(2.2.2)oct-3-yl) 2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one
- CHEMBL1193388
- (S)-2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro1H-benz[de]isoquinolin-1-one
- HY-44132
- (S)-2-(Quinuclidin-3-yl)-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one
- 135729-56-5
- 29WVV1OJ05
- Dehydro Palonosetron
- Q27254450
- 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
- 1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,4,5,6-TETRAHYDRO-
- 2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE, (+)-
- UNII-29WVV1OJ05
- SCHEMBL1160507
- CS-0103270
-
- Inchi： 1S/C19H22N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,11,13,17H,1,3,5,7-10,12H2/t17-/m1/s1
- InChI Key： DIDFYSQVOPVZQB-QGZVFWFLSA-N
- SMILES： O=C1C2C=CC=C3CCCC(C=23)=CN1[C@@H]1CN2CCC1CC2
Computed Properties
- Exact Mass: 296.18900
- Monoisotopic Mass: 294.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 506
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- Density: 1.27
- Boiling Point: 470.4 oC at 760 mmHg
- Flash Point: 209.5 oC
- Refractive Index: 1.645
- PSA: 23.55000
- LogP: 2.53230
Palonosetron Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
135729-56-5 (Palonosetron) Related Products
- 135729-78-1((S)-N-(1-Azabicyclo2.2.2oct-3-yl)-5,6,7,8-tetrahydro-1-naphthalenecarboxamide)
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- 135729-61-2(Palonosetron)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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